3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine

C13H22N4S — CID 65276899

IUPAC3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C13H22N4S/c1-13(2,3)11-15-12(18-16-11)14-9-6-7-17(8-9)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZTVAZIVCYMBATQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.48
Rot. Bonds3

About 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276899) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65276899
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C13H22N4S/c1-13(2,3)11-15-12(18-16-11)14-9-6-7-17(8-9)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZTVAZIVCYMBATQ-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276901
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97074415
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272477
3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276900
3-tert-butyl-N-piperidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275948
3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494500
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80968131
3-tert-butyl-N-(1,3-dimethylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 114504855
3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133495070
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103360274

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine (CID 65276899) is 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NC2CCN(C3CC3)C2)n1.
What is the InChIKey of 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZTVAZIVCYMBATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-13(2,3)11-15-12(18-16-11)14-9-6-7-17(8-9)10-4-5-10/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 266.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).